2-[4-(diethylamino)-3-nitro-2-oxidanyl-phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-(diethylamino)-3-nitro-2-oxidanyl-phenyl]carbonylbenzoic acid Openeye Name: 2-[4-(diethylamino)-2-hydroxy-3-nitro-benzoyl]benzoic acid CAS Name: 2-[[4-(diethylamino)-2-hydroxy-3-nitrophenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-(diethylamino)-2-hydroxy-3-nitrobenzoyl]benzoic acid Traditional Name: 2-[4-(diethylamino)-2-hydroxy-3-nitro-benzoyl]benzoic acid Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6/c1-3-19(4-2)14-10-9-13(17(22)15(14)20(25)26)16(21)11-7-5-6-8-12(11)18(23)24/h5-10,22H,3-4H2,1-2H3,(H,23,24)